Ligand id: 9326

Name: abediterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 90.82
Molecular weight 460.22
XLogP 5.09
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Aparici M, Gómez-Angelats M, Vilella D, Otal R, Carcasona C, Viñals M, Ramos I, Gavaldà A, De Alba J, Gras J et al.. (2012)
Pharmacological characterization of abediterol, a novel inhaled β(2)-adrenoceptor agonist with long duration of action and a favorable safety profile in preclinical models.
J. Pharmacol. Exp. Ther., 342 (2): 497-509. [PMID:22588259]
2. Beier J, Fuhr R, Massana E, Jiménez E, Seoane B, de Miquel G, Ruiz S. (2014)
Abediterol (LAS100977), a novel long-acting β2-agonist: efficacy, safety and tolerability in persistent asthma.
Respir Med, 108 (10): 1424-9. [PMID:25256258]